1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol

C16H25NO — CID 78966629

IUPAC1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol
SMILESCCN(Cc1ccc2c(c1)CCC2)CC(C)(C)O
InChIInChI=1S/C16H25NO/c1-4-17(12-16(2,3)18)11-13-8-9-14-6-5-7-15(14)10-13/h8-10,18H,4-7,11-12H2,1-3H3
InChIKeyCKCQQECMIFJLPI-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.77
Rot. Bonds5

About 1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol

1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol (PubChem CID 78966629) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol
PubChem CID78966629
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol
SMILESCCN(Cc1ccc2c(c1)CCC2)CC(C)(C)O
InChIInChI=1S/C16H25NO/c1-4-17(12-16(2,3)18)11-13-8-9-14-6-5-7-15(14)10-13/h8-10,18H,4-7,11-12H2,1-3H3
InChIKeyCKCQQECMIFJLPI-UHFFFAOYSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79389462
1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 78962077
4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 111334207
1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79384589
1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 61449194
N-hydroxy-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
CID 15670573
1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol
CID 102663034
2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid
CID 122040027
1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 115137029
2,3-dihydro-1H-inden-5-ylmethyl(methyl)carbamothioic S-acid
CID 115170087
1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one
CID 103446716
1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol
CID 79379712

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol (CID 78966629) is 1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol is CCN(Cc1ccc2c(c1)CCC2)CC(C)(C)O.
What is the InChIKey of 1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol?
The InChIKey is CKCQQECMIFJLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-17(12-16(2,3)18)11-13-8-9-14-6-5-7-15(14)10-13/h8-10,18H,4-7,11-12H2,1-3H3.
What are the key properties of 1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol?
1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 78966629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).